SCHEMBL4354883

SCHEMBL4354883

CN(C(=O)NCc1cccc(F)c1Cl)[C@@H](CCC(=O)N1CCN(C(=O)O)CC1)COC(=O)Nc1cc2ccccc2cn1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.32
ITGB3 P05106 4/20 0.32
ITGAV P06756 4/20 0.32
CCNK O75909 3/20 0.32
CCNA2 P20248 3/20 0.32
CDK2 P24941 3/20 0.32
CDK7 P50613 3/20 0.32
CCNH P51946 3/20 0.32
MNAT1 P51948 3/20 0.32
CDK12 Q9NYV4 3/20 0.32
TRPV1 Q8NER1 1/20 0.32
MC4R P32245 1/20 0.31
MC5R P33032 1/20 0.31
MC3R P41968 1/20 0.31
MC1R Q01726 1/20 0.31
KMT2A Q03164 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2728456 0.95 CCKBR (0.33) CTSKITGB3ITGAVCCNKCCNA2
SCHEMBL4346944 0.94 ITGB3 (0.31) ITGB3ITGAV
SCHEMBL213595 0.93 BDKRB1 (0.34) CTSKITGB3ITGAVCCNKCCNA2
SCHEMBL213082 0.93 BDKRB1 (0.33) CTSKITGB3ITGAVCCNKCCNA2
SCHEMBL213596 0.93 BDKRB1 (0.34) CTSKITGB3ITGAVCCNKCCNA2
SCHEMBL213594 0.93 BDKRB1 (0.34) CTSKITGB3ITGAVCCNKCCNA2
SCHEMBL4351843 0.93 CTSK (0.33) CTSKITGB3ITGAVCCNKCCNA2
SCHEMBL212334 0.93 SYK (0.33) CTSKITGB3ITGAVCCNKCCNA2
SCHEMBL212336 0.93 SYK (0.33) CTSKITGB3ITGAVCCNKCCNA2
SCHEMBL212335 0.93 SYK (0.33) CTSKITGB3ITGAVCCNKCCNA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 CTSK 1455/4885ITGB3 538/4885ITGAV 1885/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885ITGB3 538/4885ITGAV 1885/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 CTSK 1455/4885ITGB3 538/4885ITGAV 1885/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.